SCHEMBL10313669

SCHEMBL10313669

[C-]#[N+]c1ccc(-c2nc3[nH]c(N)cc(=O)n3c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
OPRK1 P41145 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10313668 0.78 MAPK14 (0.32) ADORA2AADORA1
SCHEMBL10313655 0.69 MEN1 (0.41) MAPTLMNAGAASMN1; SMN2KDM4E
SCHEMBL10275533 0.67 KIF11 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10275891 0.66 KDM4E (0.45) MAPTKDM4EMEN1KMT2A
SCHEMBL10313657 0.66 LDHA (0.34) MAPTLMNAGAASMN1; SMN2KDM4E
SCHEMBL10275735 0.65 MDM2 (0.40) KDM4EMEN1KMT2AALDH1A1
SCHEMBL377256 0.63 CA1 (0.58) MAPTLMNAGAAKDM4ETP53
SCHEMBL10275476 0.62 ALOX5AP (0.34) SMN1; SMN2KDM4ENPSR1
SCHEMBL8980208 0.61 CA1 (0.55) MAPTLMNAGAAKDM4ETP53
SCHEMBL3139320 0.61 CA1 (0.55) MAPTLMNAGAAKDM4ETP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 MAPT 750/4885LMNA 1504/4885GAA 1594/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.